1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine

C16H14BrN3 — CID 46344511

IUPAC1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ccc3nccnc3c2)c1
InChIInChI=1S/C16H14BrN3/c17-14-3-1-2-12(8-14)10-18-11-13-4-5-15-16(9-13)20-7-6-19-15/h1-9,18H,10-11H2
InChIKeyKAEJDEVLZOOPNY-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine

1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine (PubChem CID 46344511) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
PubChem CID46344511
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ccc3nccnc3c2)c1
InChIInChI=1S/C16H14BrN3/c17-14-3-1-2-12(8-14)10-18-11-13-4-5-15-16(9-13)20-7-6-19-15/h1-9,18H,10-11H2
InChIKeyKAEJDEVLZOOPNY-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine (CID 46344511) is 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine is Brc1cccc(CNCc2ccc3nccnc3c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine?
The InChIKey is KAEJDEVLZOOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-14-3-1-2-12(8-14)10-18-11-13-4-5-15-16(9-13)20-7-6-19-15/h1-9,18H,10-11H2.
What are the key properties of 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine?
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine has a molecular weight of 328.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine is sourced from PubChem (CID 46344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).